1-(3-octadecoxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea

Systemtic Name: 1-(3-octadecoxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Openeye Name: 1-(3-octadecoxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea CAS Name: 1-(3-octadecoxypropyl)-3-[[2-(trifluoromethyl)-4-quinazolinyl]amino]urea IUPAC Name: 1-(3-octadecoxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Traditional Name: 1-(3-stearyloxypropyl)-3-[[2-(trifluoromethyl)quinazolin-4-yl]amino]urea Formula: C31H50F3N5O2 MolecularWeight: 581.75621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCNC(=O)NNC1=NC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C31H50F3N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-41-25-20-23-35-30(40)39-38-28-26-21-17-18-22-27(26)36-29(37-28)31(32,33)34/h17-18,21-22H,2-16,19-20,23-25H2,1H3,(H2,35,39,40)(H,36,37,38)